2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol

C14H18N2O — CID 66117772

IUPAC2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cncn2C)c1
InChIInChI=1S/C14H18N2O/c1-10-4-5-11(2)12(6-10)7-14(17)13-8-15-9-16(13)3/h4-6,8-9,14,17H,7H2,1-3H3
InChIKeyPJHPQDXYKZFSNI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol

2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 66117772) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID66117772
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cncn2C)c1
InChIInChI=1S/C14H18N2O/c1-10-4-5-11(2)12(6-10)7-14(17)13-8-15-9-16(13)3/h4-6,8-9,14,17H,7H2,1-3H3
InChIKeyPJHPQDXYKZFSNI-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dimethylphenyl)ethanol
CID 65362512
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
CID 66117981

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol (CID 66117772) is 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol is Cc1ccc(C)c(CC(O)c2cncn2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is PJHPQDXYKZFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-5-11(2)12(6-10)7-14(17)13-8-15-9-16(13)3/h4-6,8-9,14,17H,7H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol?
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 66117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).